1-(4-methylphenyl)-3-(trimethylsilylmethyl)urea

C12H20N2OSi — CID 15490432

IUPAC1-(4-methylphenyl)-3-(trimethylsilylmethyl)urea
SMILESCc1ccc(NC(=O)NC[Si](C)(C)C)cc1
InChIInChI=1S/C12H20N2OSi/c1-10-5-7-11(8-6-10)14-12(15)13-9-16(2,3)4/h5-8H,9H2,1-4H3,(H2,13,14,15)
InChIKeyQXSQLOJHQLPKIM-UHFFFAOYSA-N
MW236.39 g/mol
LogP2.99
Rot. Bonds3

About 1-(4-methylphenyl)-3-(trimethylsilylmethyl)urea

1-(4-methylphenyl)-3-(trimethylsilylmethyl)urea (PubChem CID 15490432) has the molecular formula C12H20N2OSi and a molecular weight of 236.39 g/mol. Its IUPAC name is 1-(4-methylphenyl)-3-(trimethylsilylmethyl)urea.

Molecular Properties

Compound Name1-(4-methylphenyl)-3-(trimethylsilylmethyl)urea
PubChem CID15490432
Molecular FormulaC12H20N2OSi
Molecular Weight236.39 g/mol
Exact Mass236.13
IUPAC Name1-(4-methylphenyl)-3-(trimethylsilylmethyl)urea
SMILESCc1ccc(NC(=O)NC[Si](C)(C)C)cc1
InChIInChI=1S/C12H20N2OSi/c1-10-5-7-11(8-6-10)14-12(15)13-9-16(2,3)4/h5-8H,9H2,1-4H3,(H2,13,14,15)
InChIKeyQXSQLOJHQLPKIM-UHFFFAOYSA-N
XLogP2.99
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.39
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

1-[2-(methylamino)ethyl]-3-(4-methylphenyl)urea
CID 62659113
1-(methoxymethyl)-3-(4-methylphenyl)urea
CID 110675978
1-(4-methylphenyl)-3-[(4-methylphenyl)carbamoylamino]urea
CID 54178073
[(4-methylphenyl)carbamoylamino]methylphosphonic acid
CID 159634843
1-(2-chloroprop-2-enyl)-3-(4-methylphenyl)urea
CID 115640170
1-[3-(dimethylamino)propyl]-3-(4-methylphenyl)urea
CID 47103513
1-[4-[[bis[[4-[(4-methylphenyl)carbamoylamino]phenyl]methyl]amino]methyl]phenyl]-3-(4-methylphenyl)urea
CID 72544901
1-(2-amino-3-ethylpentyl)-3-(4-methylphenyl)urea
CID 106286600
1-[(2,6-dimethylphenyl)methyl]-3-(4-methylphenyl)urea
CID 67763936
1-(2,3-dihydroxypropyl)-3-(4-methylphenyl)urea
CID 3712236
1-[4-(hydroxymethyl)phenyl]-3-(4-methylphenyl)urea
CID 64794146
1-(2-amino-4,4-dimethylpentyl)-3-(4-methylphenyl)urea
CID 107158914

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-3-(trimethylsilylmethyl)urea?
The IUPAC name of 1-(4-methylphenyl)-3-(trimethylsilylmethyl)urea (CID 15490432) is 1-(4-methylphenyl)-3-(trimethylsilylmethyl)urea.
What is the SMILES notation for 1-(4-methylphenyl)-3-(trimethylsilylmethyl)urea?
The canonical SMILES for 1-(4-methylphenyl)-3-(trimethylsilylmethyl)urea is Cc1ccc(NC(=O)NC[Si](C)(C)C)cc1.
What is the InChIKey of 1-(4-methylphenyl)-3-(trimethylsilylmethyl)urea?
The InChIKey is QXSQLOJHQLPKIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2OSi/c1-10-5-7-11(8-6-10)14-12(15)13-9-16(2,3)4/h5-8H,9H2,1-4H3,(H2,13,14,15).
What are the key properties of 1-(4-methylphenyl)-3-(trimethylsilylmethyl)urea?
1-(4-methylphenyl)-3-(trimethylsilylmethyl)urea has a molecular weight of 236.39 g/mol, XLogP of 2.99, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-3-(trimethylsilylmethyl)urea is sourced from PubChem (CID 15490432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).